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Computer-Aided Drug Design towards New Psychotropic and Neurological Drugs

Molecules (Basel, Switzerland), 2023-01, Vol.28 (3), p.1324

2023

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CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles

Journal of cheminformatics, 2021-08, Vol.13 (1), p.1-13, Article 60

2021

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A unified model of the GABA(A) receptor comprising agonist and benzodiazepine binding sites

PloS one, 2013, Vol.8 (1), p.e52323

2013

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The Anti-Nociceptive Effects of Nicotine in Humans: A Systematic Review and Meta-Analysis

Pharmaceuticals (Basel, Switzerland), 2023-11, Vol.16 (12), p.1665

2023

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Binding and Dynamics Demonstrate the Destabilization of Ligand Binding for the S688Y Mutation in the NMDA Receptor GluN1 Subunit

Molecules (Basel, Switzerland), 2023-05, Vol.28 (10), p.4108

2023

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Alternatively Spliced Isoforms of the P2X7 Receptor: Structure, Function and Disease Associations

International journal of molecular sciences, 2022-08, Vol.23 (15), p.8174

2022

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Structure-Based Discovery of Dual-Target Hits for Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptors: In Silico Studies and In Vitro Confirmation

Molecules (Basel, Switzerland), 2020-06, Vol.25 (12), p.2872

2020

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Innate Immunity and Inflammation Post-Stroke: An α7-Nicotinic Agonist Perspective

International journal of molecular sciences, 2015-12, Vol.16 (12), p.29029-29046

2015

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Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors

PloS one, 2014-03, Vol.9 (3), p.e91232

2014

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GABAA receptors as targets for anaesthetics and analgesics and promising candidates to help treat coronavirus infections: A mini‐review

Basic & clinical pharmacology & toxicology, 2022-12, Vol.131 (6), p.443-451

2022

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Probing the Role of Backbone Hydrogen Bonds in Protein–Peptide Interactions by Amide-to-Ester Mutations

Journal of the American Chemical Society, 2013-09, Vol.135 (35), p.12998-13007

2013

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Quantitative Toxicity Prediction via Meta Ensembling of Multitask Deep Learning Models

ACS omega, 2021-05, Vol.6 (18), p.12306-12317

2021

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Combination of High-Resolution Structures for the B Cell Receptor and Co-Receptors Provides an Understanding of Their Interactions with Therapeutic Antibodies

Cancers, 2023-05, Vol.15 (11), p.2881

2023

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Ligand Binding at the 4-4 Agonist-Binding Site of the 42 nAChR Triggers Receptor Activation through a Pre-Activated Conformational State

PloS one, 2016-08, Vol.11 (8), p.e0161154-e0161154

2016

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GABA A receptors as targets for anaesthetics and analgesics and promising candidates to help treat coronavirus infections: A mini‐review

Basic & clinical pharmacology & toxicology, 2022-12, Vol.131 (6), p.443-451

2022

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Crystal structure of Lymnaea stagnalis AChBP complexed with the potent nAChR antagonist DHβE suggests a unique mode of antagonism

PloS one, 2012-08, Vol.7 (8), p.e40757-e40757

2012

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Novel Approach for the Search for Chemical Scaffolds with Activity at Both Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptor: A Perspective on Scaffolds with Dual Activity for the Treatment of Neurodegenerative Disorders

Molecules (Basel, Switzerland), 2019-01, Vol.24 (3), p.446

2019

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GABAA receptor partial agonists and antagonists: structure, binding mode, and pharmacology

Advances in pharmacology (1990), 2015, Vol.72, p.201-227

2015

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Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields

Journal of molecular modeling, 2011, Vol.17 (1), p.201-208

2011

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A 3D-QSAR-Driven Approach to Binding Mode and Affinity Prediction

Journal of chemical information and modeling, 2012-02, Vol.52 (2), p.302-307

2012

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Open3DALIGN: an open-source software aimed at unsupervised ligand alignment

Journal of computer-aided molecular design, 2011-08, Vol.25 (8), p.777-783

2011

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Biosynthesis of pectic oligosaccharide-based amphiphiles as novel stabilizers of nanoemulsions by coupling enzymatic depolymerization with alkyl/alkenyl succinylation

Food hydrocolloids, 2023-05, Vol.139, p.108574, Article 108574

2023

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Covalent Trapping of Methyllycaconitine at the α4-α4 Interface of the α4β2 Nicotinic Acetylcholine Receptor

The Journal of biological chemistry, 2013-09, Vol.288 (37), p.26521-26532

2013

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Discovery of a Novel Allosteric Modulator of 5-HT3 Receptors

The Journal of biological chemistry, 2012-07, Vol.287 (30), p.25241-25254

2012

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From Shellfish Poisoning to Neuroscience

Structure (London), 2015-06, Vol.23 (6), p.979-980

2015

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Computer-Aided Drug Design towards New Psychotropic and Neurological Drugs

CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles

A unified model of the GABA(A) receptor comprising agonist and benzodiazepine binding sites

The Anti-Nociceptive Effects of Nicotine in Humans: A Systematic Review and Meta-Analysis

Binding and Dynamics Demonstrate the Destabilization of Ligand Binding for the S688Y Mutation in the NMDA Receptor GluN1 Subunit

Alternatively Spliced Isoforms of the P2X7 Receptor: Structure, Function and Disease Associations

Structure-Based Discovery of Dual-Target Hits for Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptors: In Silico Studies and In Vitro Confirmation

Innate Immunity and Inflammation Post-Stroke: An α7-Nicotinic Agonist Perspective

Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors

GABAA receptors as targets for anaesthetics and analgesics and promising candidates to help treat coronavirus infections: A mini‐review

Probing the Role of Backbone Hydrogen Bonds in Protein–Peptide Interactions by Amide-to-Ester Mutations

Quantitative Toxicity Prediction via Meta Ensembling of Multitask Deep Learning Models

Combination of High-Resolution Structures for the B Cell Receptor and Co-Receptors Provides an Understanding of Their Interactions with Therapeutic Antibodies

Ligand Binding at the 4-4 Agonist-Binding Site of the 42 nAChR Triggers Receptor Activation through a Pre-Activated Conformational State

GABA A receptors as targets for anaesthetics and analgesics and promising candidates to help treat coronavirus infections: A mini‐review

Crystal structure of Lymnaea stagnalis AChBP complexed with the potent nAChR antagonist DHβE suggests a unique mode of antagonism

Novel Approach for the Search for Chemical Scaffolds with Activity at Both Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptor: A Perspective on Scaffolds with Dual Activity for the Treatment of Neurodegenerative Disorders

GABAA receptor partial agonists and antagonists: structure, binding mode, and pharmacology

Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields

A 3D-QSAR-Driven Approach to Binding Mode and Affinity Prediction

Open3DALIGN: an open-source software aimed at unsupervised ligand alignment

Biosynthesis of pectic oligosaccharide-based amphiphiles as novel stabilizers of nanoemulsions by coupling enzymatic depolymerization with alkyl/alkenyl succinylation

Covalent Trapping of Methyllycaconitine at the α4-α4 Interface of the α4β2 Nicotinic Acetylcholine Receptor

Discovery of a Novel Allosteric Modulator of 5-HT3 Receptors

From Shellfish Poisoning to Neuroscience

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